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ENAMINE-ZINC07058360

 MMsINC code: MMs01721339
Type: Neutral
Formula: C17H20N2O4S
SMILES:   S(Cc1occc1)CCNC(=O)CNC(=O)COc1ccccc1
InChI:   InChI=1/C17H20N2O4S/c20-16(18-8-10-24-13-15-7-4-9-22-15)11-19-17(21)12-23-14-5-2-1-3-6-14/h1-7,9H,8,10-13H2,(H,18,20)(H,19,21)

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Potential Energy
Epot(MMFF94)=75.0401 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.423 g/mol  logS: -4.29175  SlogP: 2.0906  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0100293  Sterimol/B1: 3.0381  Sterimol/B2: 3.33081  Sterimol/B3: 3.45674
  Sterimol/B4: 4.76999  Sterimol/L: 24.1073 
 
 Surface and Volume Properties
  Accessible surface: 669.27  Positive charged surface: 397.154  Negative charged surface: 272.116  Volume: 329.875
  Hydrophobic surface: 504.928  Hydrophilic surface: 164.342
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.